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This book comprises the proceedings of a NATO sponsored Advanced Research Workshop held from 1st November to 6th November 1992 in the delightful Chateau de Florans, Bedoin, Vaucluse, France and entitled 'Elementary Reaction Steps in Heterogeneous Catalysis. ' The organisers are grateful to the Science Committee of NATO for their support of this meeting. This is believed to be the first wide ranging NATO ARW in the field of heterogeneous catalysis for 20 years, following a previous venture organised in Sardinia by Basolo and Burwell, of Northwestern University, Illinois, USA [1]. This volume collects the lecture presentations and reports on the lively Panel discussions. The idea for the meeting evolved from a series of International Symposia on Quantum Chemistry and Mechanism in Heterogeneous Catalysis. The first of these was held in Lyon, France in 1986, the second in Krakow, Poland in 1988 and the third in Berkeley, California in 1990. The organising committee of the present meeting was Bernard Bigot, France, Tony Farragher, Netherlands, Richard Joyner, UK, Mme. Danielle Olivier, France, and Rutger van Santen, Netherlands, (Chairman). We wish to thank all members of the committee but in particular Bernard Bigot, who undertook the very extensive work involved in the local organisation with consummate skill and made our stay in Provence a great pleasure. Bernard Bigot's secretary, Mme. Marie-Noelle Coscat and Richard Joyner's secretary, Mrs. Pat Gibbs, also deserve our considerable thanks. There were fifty-four participants from eleven countries.
List of contents
Introduction: Elementary Reaction Steps in Heterogeneous Catalysis.- Introduction: Elementary Reaction Steps in Heterogeneous Catalysis.- Session 1: Catalytic Reactivity.- Surface Science as a Basis for Understanding Heterogeneous Catalysis.- Organometallic Chemistry as a Basis for Understanding Heterogeneous Catalysis.- The Organic Chemical Approach to Heterogeneous Catalysis.- Electrochemical Activation of Catalysed Reactions.- Selective Oxidation Pathways at Oxide Surfaces: The Transformation of Alkanes on Vanadyl Pyrophosphate.- Theory of Bronsted Acidity in Zeolites.- Discussion Summary: Session 1.- Session 2: Surface Science Studies in Catalysis.- Surface Reactivity of Oxides.- Adsorption and Reactions of CO, NO, H2 and O2 on Group VIII Metal Surfaces.- Model Catalyst Studies of Titania Supported Rhodium.- The Dynamics of Alkane Adsorption on Metals.- The Study of Dynamics at Catalytic Surfaces with Nuclear Magnetic Resonance Spectroscopy.- Discussion Summary: Session 2.- Session 3: In-situ Methods in Catalysis.- Applications of Synchrotron Radiation in Catalysis.- Infrared Spectroscopy as a Probe of Surface Acidity.- The Effects of Coadsorbates on the Behaviour of Surface Species and Sites in Catalysis by Means of EXAFS and FTIR.- How Can Scanning Tunneling Microscopy, Coupled with Theory, Help Us Understand Some Elementary Steps in Catalysis.- Discussion Summary: Session 3.- Session 4: The Contribution of Theory to Catalytic Understanding.- Quantum Chemistry of Chemisorption at Metal and Oxide Surfaces: A Cluster Model Approach.- Reaction Dynamics at Surfaces.- Chemical Reactivity as a Function of Coverage.- Solvent Effects on the Diels-Alder Reaction of Methyl Vinyl Ketone and Cyclopentadiene from Computer Simulations.- Molecular Modeling and Molecular Graphicsof Sorbates in Molecular Sieves.- Discussion Summary: Session 4.- Session 5: Chemical Kinetics and Chemical Engineering.- Reaction Modelling on the Basis of the Published Potential Energy Diagram.- Transient Kinetics in Catalysis by Metals.- Reaction Kinetics and Industrial Catalysis.- Discussion Summary: Session 5.- Summary Lectures.- Toward Next Century's Industrial Catalysis.- Elementary Reaction Steps in Heterogeneous Catalysis: A Workshop Overview.- List of Contributors.
